SCHEMBL4034422

SCHEMBL4034422

COc1cc2ncn(-c3cc(O[C@H](C)c4ccccc4C(F)(F)F)c(C#N)s3)c2cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 11/20 1.00
PLK1 P53350 12/20 0.70
PLK3 Q9H4B4 6/20 0.59
CDK2 P24941 2/20 0.53
TBK1 Q9UHD2 1/20 0.53
PLK4 O00444 1/20 0.51
CHEK1 O14757 1/20 0.51
AURKA O14965 1/20 0.51
DAPK3 O43293 1/20 0.51
JAK2 O60674 1/20 0.51
CHEK2 O96017 1/20 0.51
INSR P06213 1/20 0.51
LCK P06239 1/20 0.51
FYN P06241 1/20 0.51
CDK1 P06493 1/20 0.51
CSF1R P07333 1/20 0.51
LYN P07948 1/20 0.51
MET P08581 1/20 0.51
PIM1 P11309 1/20 0.51
FGFR1 P11362 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4032265 0.87 IKBKE (1.00) IKBKEPLK1PLK3CDK2TBK1
SCHEMBL4035216 0.83 PLK1 (0.83) IKBKEPLK1PLK3CDK2PLK4
SCHEMBL13206495 0.83 PLK1 (0.83) IKBKEPLK1PLK3CDK2PLK4
SCHEMBL4038453 0.82 IKBKE (1.00) IKBKEPLK1PLK3CDK2TBK1
SCHEMBL4032849 0.78 IKBKE (0.68) IKBKEPLK1PLK3TBK1
SCHEMBL5399351 0.78 IKBKE (0.63) IKBKEPLK1PLK3DAPK3PIM1
SCHEMBL3257087 0.77 PLK1 (0.69) IKBKEPLK1PLK3DAPK3PIM1
SCHEMBL4034641 0.77 IKBKE (1.00) IKBKEPLK1PLK3CDK2TBK1
SCHEMBL4033246 0.76 IKBKE (0.77) IKBKEPLK1PLK3CDK2TBK1
SCHEMBL3615343 0.76 PLK1 (0.69) IKBKEPLK1PLK3DAPK3PIM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720864-B1 BENZIMIDAZOL SUBSTITUTED THIOPHENE DERIVATIVES WITH ACTIVITY ON IKK3 GLAXO GROUP LTD (GB) 2009-05-06 EP claimed
EP-2259787-B1 IKKI INHIBITOR THERAPIES AND SCREENING METHODS, AND RELATED IKKI DIAGNOSTICS UNIV MICHIGAN (US) 2015-12-23 EP disclosed
EP-1720864-B1 BENZIMIDAZOL SUBSTITUTED THIOPHENE DERIVATIVES WITH ACTIVITY ON IKK3 GLAXO GROUP LTD (GB) 2009-05-06 EP disclosed
US-20070149519-A1 Benzimidazol substituted thiopene derivatives with activity on ikk3 GLAXO GROUP LIMITED (GB) 2007-06-28 US disclosed
US-20070149519-A1 Benzimidazol substituted thiopene derivatives with activity on ikk3 GLAXO GROUP LIMITED (GB) 2007-06-28 US disclosed
US-20070149519-A1 Benzimidazol substituted thiopene derivatives with activity on ikk3 GLAXO GROUP LIMITED (GB) 2007-06-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070149519-A1 Benzimidazol substituted thiopene derivatives with activity on ikk3 IKBKE, IKBKB, TBK1 IKBKE 1/4885PLK1 1088/4885PLK3 413/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.